CID 3089946

N-[2,2,2-trichloro-1-(4-morpholinyl)ethyl]-2-furamide

Structural Information

Molecular Formula
C11H13Cl3N2O3
SMILES
C1COCCN1C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2
InChI
InChI=1S/C11H13Cl3N2O3/c12-11(13,14)10(16-3-6-18-7-4-16)15-9(17)8-2-1-5-19-8/h1-2,5,10H,3-4,6-7H2,(H,15,17)
InChIKey
WUNSCSKYJLIQBI-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-morpholin-4-ylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.99918 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00646 171.3
[M+Na]+ 348.98840 176.1
[M-H]- 324.99190 175.2
[M+NH4]+ 344.03300 183.4
[M+K]+ 364.96234 173.8
[M+H-H2O]+ 308.99644 165.4
[M+HCOO]- 370.99738 172.9
[M+CH3COO]- 385.01303 201.2
[M+Na-2H]- 346.97385 173.2
[M]+ 325.99863 171.8
[M]- 325.99973 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.